# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09719500
_cell_length_b   10.25846909
_cell_length_c   6.87732206
_cell_angle_alpha   89.98523816
_cell_angle_beta   89.99852220
_cell_angle_gamma   89.99589309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   359.61115069
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.69541900  0.15402400  0.21269100  1
  Li  Li1  1  0.80460900  0.65404800  0.21263300  1
  Li  Li2  1  0.30492900  0.84594400  0.71283400  1
  Li  Li3  1  0.19503900  0.34595200  0.71278400  1
  Fe  Fe4  1  0.19628200  0.34841500  0.21256300  1
  Fe  Fe5  1  0.30376100  0.84837400  0.21259200  1
  Fe  Fe6  1  0.80360200  0.65158000  0.71242600  1
  Fe  Fe7  1  0.69638700  0.15163200  0.71247400  1
  P  P8  1  0.69287300  0.40305700  0.46382800  1
  P  P9  1  0.19321300  0.09695400  0.96359100  1
  P  P10  1  0.30680200  0.59694400  0.96357700  1
  P  P11  1  0.80710200  0.90304600  0.46384400  1
  O  O12  1  0.60889600  0.62065900  0.96602200  1
  O  O13  1  0.89111600  0.12067800  0.96605400  1
  O  O14  1  0.39082500  0.37916400  0.46617800  1
  O  O15  1  0.10915600  0.87912900  0.46621100  1
  O  O16  1  0.18549000  0.66004800  0.14849500  1
  O  O17  1  0.68592500  0.84016200  0.64901600  1
  O  O18  1  0.81400400  0.34022100  0.64905500  1
  O  O19  1  0.31454600  0.16009000  0.14846000  1
  O  O20  1  0.74061600  0.05096900  0.46160800  1
  O  O21  1  0.75939100  0.55097700  0.46151400  1
  O  O22  1  0.26003200  0.94907000  0.96167200  1
  O  O23  1  0.23998600  0.44907000  0.96160900  1
  O  O24  1  0.19564600  0.66167500  0.77613200  1
  O  O25  1  0.80440400  0.33820500  0.27668000  1
  O  O26  1  0.30432400  0.16166500  0.77611400  1
  O  O27  1  0.69562400  0.83824700  0.27664500  1
